AB00685490-01
TL;DR: AB00685490-01 (CAS 682783-64-8) is a chemical compound with molecular formula C18H14N2O5S2 and molecular weight 402.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[(5E)-5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]benzoic acid
Also Known As: AB00685490-01, F1063-1872, (E)-2-(3-(5-(furan-2-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)benzoic acid, 2-{3-[(5E)-5-[(furan-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamido}benzoic acid, 2-[3-[(5E)-5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]benzoic acid
| Molecular Formula | C18H14N2O5S2 |
|---|---|
| Molecular Weight | 402.03 g/mol |
| LogP | 3.2078 |
| Topological Polar Surface Area | 99.85 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 402.03442 |
| Heavy Atoms | 27 |
| Complexity | 936.98846 |
Chemical Identifiers
| CAS Number | 682783-64-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)NC(=O)CCN2C(=O)/C(=C\C3=CC=CO3)/SC2=S |
Product Overview
AB00685490-01 (CAS 682783-64-8), with molecular formula C18H14N2O5S2 and molecular weight 402.03 g/mol. IUPAC: 2-[3-[(5E)-5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]benzoic acid.
Chemical Property Profile of AB00685490-01
Property Insights of AB00685490-01
The XLogP value of 3.2078 indicates that AB00685490-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.85 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00685490-01. Following Lipinski's Rule of Five, AB00685490-01 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00685490-01?
The CAS number of AB00685490-01 is 682783-64-8.
What is the molecular formula of AB00685490-01?
The molecular formula of AB00685490-01 is C18H14N2O5S2.
What is the molecular weight of AB00685490-01?
The molecular weight of AB00685490-01 is 402.03 g/mol.
Where can I buy AB00685490-01?
You can request a quote for AB00685490-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00685490-01?
Yes, KEHONG BIO provides custom synthesis services for AB00685490-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.